BlueObelisk Euclid

A library of numeric, geometric and XML routines

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Cite this software

DOI:

10.5281/zenodo.5815148

Keywords

No keywords available

Programming languages

Java 94%
HTML 6%

License

Apache-2.0

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Packages

Participating organisations

Reference papers

1.
Author(s): Peter Murray-Rust, Henry S Rzepa
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2011
10.1186/1758-2946-3-44

Mentions

1.
Published in Annual Reports in Computational Chemistry by Elsevier in 2021, page: 163-208
10.1016/bs.arcc.2021.09.003
2.
Author(s): Patrick Lambrix, Rickard Armiento, Anna Delin, Huanyu Li
Published in Encyclopedia of Big Data Technologies by Springer International Publishing in 2019, page: 358-365
10.1007/978-3-319-77525-8_293
3.
Author(s): Patrick Lambrix, Rickard Armiento, Anna Delin, Huanyu Li
Published in Encyclopedia of Big Data Technologies by Springer International Publishing in 2018, page: 1-8
10.1007/978-3-319-63962-8_293-1
4.
Author(s): Thomas Engel, Oliver Sacher, Adrian Kolodzik, Matthias Rarey, Joao Aires de Sousa, Thomas Engel, Christof Schwab, Thomas Engel
Published in Chemoinformatics by Wiley-VCH Verlag GmbH & Co. KGaA in 2018, page: 43-119
10.1002/9783527816880.ch3
5.
Author(s): Nikolay Kochev, Valentin Monev, Ivan Bangov
Published in Chemoinformatics by Wiley-VCH Verlag GmbH & Co. KGaA in 2018, page: 231-266
10.1002/9783527816880.ch7
6.
Author(s): Patrick Lambrix, Rickard Armiento, Anna Delin, Huanyu Li
Published in Encyclopedia of Big Data Technologies by Springer International Publishing in 2012, page: 1-8
10.1007/978-3-319-63962-8_293-2

1.
Author(s): Jie Liu
Published in 2022 International Conference on Knowledge Engineering and Communication Systems (ICKES) by IEEE in 2022, page: 1-5
10.1109/ickecs56523.2022.10060323

1.
Author(s): Eric J. Bylaska, Ajay Panyala, Nicholas P. Bauman, Bo Peng, Himadri Pathak, Daniel Mejia-Rodriguez, Niranjan Govind, David B. Williams-Young, Edoardo Aprà, Abhishek Bagusetty, Erdal Mutlu, Koblar A. Jackson, Tunna Baruah, Yoh Yamamoto, Mark R. Pederson, Kushantha P. K. Withanage, Jesús N. Pedroza-Montero, Jenna A. Bilbrey, Sutanay Choudhury, Jesun Firoz, Kristina M. Herman, Sotiris S. Xantheas, Paul Rigor, Fernando D. Vila, John J. Rehr, Mimi Fung, Adam Grofe, Conrad Johnston, Nathan Baker, Ken Kaneko, Hongbin Liu, Karol Kowalski
Published in The Journal of Chemical Physics by AIP Publishing in 2024
10.1063/5.0226437
2.
Author(s): Ramil Nugmanov
Published in Journal of Chemical Information and Modeling by American Chemical Society (ACS) in 2024, page: 3173-3179
10.1021/acs.jcim.3c01720
3.
Author(s): Andrius Merkys, Antanas Vaitkus, Algirdas Grybauskas, Aleksandras Konovalovas, Miguel Quirós, Saulius Gražulis
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2023
10.1186/s13321-023-00692-1
4.
Author(s): Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar, Michał Hapka, Katarzyna Pernal, Ravindra Shinde, Edgar Josué Landinez Borda, Claudia Filippi, Kosuke Nakano, Otto Kohulák, Sandro Sorella, Pablo de Oliveira Castro, William Jalby, Pablo López Ríos, Ali Alavi, Anthony Scemama
Published in The Journal of Chemical Physics by AIP Publishing in 2023
10.1063/5.0148161
5.
Author(s): Luca M. Ghiringhelli, Carsten Baldauf, Tristan Bereau, Sandor Brockhauser, Christian Carbogno, Javad Chamanara, Stefano Cozzini, Stefano Curtarolo, Claudia Draxl, Shyam Dwaraknath, Ádám Fekete, James Kermode, Christoph T. Koch, Markus Kühbach, Alvin Noe Ladines, Patrick Lambrix, Maja-Olivia Himmer, Sergey V. Levchenko, Micael Oliveira, Adam Michalchuk, Ronald E. Miller, Berk Onat, Pasquale Pavone, Giovanni Pizzi, Benjamin Regler, Gian-Marco Rignanese, Jörg Schaarschmidt, Markus Scheidgen, Astrid Schneidewind, Tatyana Sheveleva, Chuanxun Su, Denis Usvyat, Omar Valsson, Christof Wöll, Matthias Scheffler
Published in Scientific Data by Springer Science and Business Media LLC in 2023
10.1038/s41597-023-02501-8
6.
Author(s): Alexander J. S. Hammer, Artem I. Leonov, Nicola L. Bell, Leroy Cronin
Published in JACS Au by American Chemical Society (ACS) in 2021, page: 1572-1587
10.1021/jacsau.1c00303
7.
Author(s): Björn Schembera, Dorothea Iglezakis
Published in International Journal of Metadata, Semantics and Ontologies by Inderscience Publishers in 2020, page: 26
10.1504/ijmso.2020.107792
8.
Author(s): James R Kermode
Published in Journal of Physics: Condensed Matter by IOP Publishing in 2020, page: 305901
10.1088/1361-648x/ab82d2
9.
Author(s): Gudrun Gygli, Xinmeng Xu, Jürgen Pleiss
Published in Scientific Reports by Springer Science and Business Media LLC in 2020
10.1038/s41598-020-78101-y
10.
Author(s): Xinmeng Xu, Jan Range, Gudrun Gygli, Jürgen Pleiss
Published in Journal of Chemical & Engineering Data by American Chemical Society (ACS) in 2019, page: 1172-1179
10.1021/acs.jced.9b00555
11.
Author(s): Carles Bo, Feliu Maseras, Núria López
Published in Nature Catalysis by Springer Science and Business Media LLC in 2018, page: 809-810
10.1038/s41929-018-0176-4
12.
Author(s): Philipp-Maximilian Jacob, Tian Lan, Jonathan M. Goodman, Alexei A. Lapkin
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2017
10.1186/s13321-017-0210-6
13.
Author(s): Qammar L. Almas, Benjamin L. Keefe, Trevor Profitt, Jason K. Pearson
Published in Computational and Theoretical Chemistry by Elsevier BV in 2016, page: 46-55
10.1016/j.comptc.2016.04.005
14.
Author(s): Ji Hoon Jung, Miyong Yun, Eun‐Jeong Choo, Sun‐Hee Kim, Myoung‐Seok Jeong, Deok‐Beom Jung, Hyemin Lee, Eun‐Ok Kim, Nobuo Kato, Bonglee Kim, Sanjay K Srivastava, Kunihiro Kaihatsu, Sung‐Hoon Kim
Published in British Journal of Pharmacology by Wiley in 2015, page: 3565-3578
10.1111/bph.13146
15.
Author(s): Colin Bird, Simon J. Coles, Jeremy G. Frey
Published in Molecular Informatics by Wiley in 2015, page: 585-597
10.1002/minf.201500008
16.
Author(s): Wendy A. Warr
Published in Journal of Computer-Aided Molecular Design by Springer Science and Business Media LLC in 2015, page: 681-694
10.1007/s10822-015-9854-3
17.
Author(s): Villu Ruusmann, Sulev Sild, Uko Maran
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2014
10.1186/1758-2946-6-25
18.
Author(s): Matthew J. Harvey, Nicholas J. Mason, Henry S. Rzepa
Published in Journal of Chemical Information and Modeling by American Chemical Society (ACS) in 2014, page: 2627-2635
10.1021/ci500302p
19.
Author(s): Stefan Habermehl, Philipp Mörschel, Pierre Eisenbrandt, Sonja M. Hammer, Martin U. Schmidt
Published in Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials by International Union of Crystallography (IUCr) in 2014, page: 347-359
10.1107/s2052520613033994
20.
Author(s): Colin L. Bird, Jeremy G. Frey
Published in Chemical Society Reviews by Royal Society of Chemistry (RSC) in 2013, page: 6754
10.1039/c3cs60050e
21.
Author(s): Wibe A de Jong, Andrew M Walker, Marcus D Hanwell
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2013
10.1186/1758-2946-5-25
22.
Author(s): Konrad Hinsen
Published in Journal of Chemical Information and Modeling by American Chemical Society (ACS) in 2013, page: 131-137
10.1021/ci400599y
23.
Author(s): Richard Grunzke, Sebastian Breuers, Sandra Gesing, Sonja Herres‐Pawlis, Martin Kruse, Dirk Blunk, Luis de la Garza, Lars Packschies, Patrick Schäfer, Charlotta Schärfe, Tobias Schlemmer, Thomas Steinke, Bernd Schuller, Ralph Müller‐Pfefferkorn, René Jäkel, Wolfgang E. Nagel, Malcolm Atkinson, Jens Krüger
Published in Concurrency and Computation: Practice and Experience by Wiley in 2013, page: 1744-1759
10.1002/cpe.3116
24.
Author(s): Marcus D Hanwell, Donald E Curtis, David C Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R Hutchison
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2012
10.1186/1758-2946-4-17
25.
Author(s): B.Firdaus Begam, J. Satheesh Kumar
Published in Procedia Engineering by Elsevier BV in 2012, page: 1264-1275
10.1016/j.proeng.2012.06.156
26.
Author(s): Peter Murray-Rust
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2011
10.1186/1758-2946-3-48
27.
Author(s): Joe A Townsend, Peter Murray-Rust
Published in Journal of Cheminformatics by Springer Science and Business Media LLC in 2011
10.1186/1758-2946-3-39

1.
Author(s): Richard Apodaca
Published by American Chemical Society (ACS) in 2022
10.26434/chemrxiv-2022-01ltp
2.
Author(s): Wendy Warr
Published by American Chemical Society (ACS) in 2021
10.33774/chemrxiv-2021-x5sj7
3.
Author(s): Marcus D Hanwell, Chris Harris, Alessandro Genova, Mojtaba Haghighatlari, Muammar El Khatib, Patrick Avery, Johannes Hachmann, Wibe Albert de Jong
Published by Wiley in 2020
10.22541/au.158687268.81852407/v2
4.
Author(s): Jan Mokrý, Miloslav Nič
Published by PeerJ in 2015
10.7287/peerj.preprints.1335v1
5.
Author(s): Jan Mokrý, Miloslav Nič
Published by PeerJ in 2015
10.7287/peerj.preprints.1336v1

Contributors

Contact person

Egon Willighagen

Contributor

maastrichtuniversity.nl

0000-0001-7542-0286

Mail Egon

Egon Willighagen

Contributor

maastrichtuniversity.nl

0000-0001-7542-0286

Related software

CMLXOM

Java library for working with Chemical Markup Language files.

Updated 21 months ago

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BlueObelisk Euclid

Cite this software

DOI:

Participating organisations

Reference papers

Journal articles1

Mentions

Book section6

Conference papers1

Journal articles27

Other5

Contributors

Contact person

Egon Willighagen

Contributor

maastrichtuniversity.nl

.logo-orcid_svg__st1{fill:#fff}0000-0001-7542-0286

Related software

CMLXOM

0000-0001-7542-0286